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Chemical ID: 5058206
Chemical ID:
5058206
Name [?]:
N-(4-cyclohexylbutyl)cyclohexanamine
SMILES [?]:
C1CCC(CC1)CCCCNC2CCCCC2
InChi [?]:
InChI=1/C16H31N/c1-3-9-15(10-4-1)11-7-8-14-17-16-12-5-2-6-13-16/h15-17H,1-14H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,8,9,3,5,7,13,17,10,4,12,11/E:(3,4)(5,6)(9,10)(12,13)/rA:17nCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H31N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1275 |
Area: | 468.146 |
Solvation: | -0.576174 |
Coulombic: | -11.9802 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 6.02 |
LogP (Chemaxon): | 4.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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